4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene

C23H22BrFO2 — CID 3068482

IUPAC4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C23H22BrFO2/c1-23(2,18-9-11-19(24)12-10-18)16-26-15-17-8-13-21(25)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeyADZFNJNRKINXPK-UHFFFAOYSA-N
MW429.33 g/mol
LogP6.87
Rot. Bonds7

About 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene

4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene (PubChem CID 3068482) has the molecular formula C23H22BrFO2 and a molecular weight of 429.33 g/mol. Its IUPAC name is 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene.

Molecular Properties

Compound Name4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
PubChem CID3068482
Molecular FormulaC23H22BrFO2
Molecular Weight429.33 g/mol
Exact Mass428.08
IUPAC Name4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C23H22BrFO2/c1-23(2,18-9-11-19(24)12-10-18)16-26-15-17-8-13-21(25)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3
InChIKeyADZFNJNRKINXPK-UHFFFAOYSA-N
XLogP6.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.33
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Etofenprox
CID 71245
Halfenprox
CID 10140464
Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067125
Benzene, 1-((2-(4-(1-methylethyl)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 595030
Benzene, 1-((2-(4-methoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067110
Benzene, 1-(4-fluorophenoxy)-3-((2-(4-fluorophenyl)-2-methylbutoxy)methyl)-
CID 3067111
Benzene, 1-(4-fluorophenoxy)-3-((2-methyl-2-(4-methylphenyl)propoxy)methyl)-
CID 3067112
Benzene, 1-(4-bromophenoxy)-3-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-
CID 3067113
Benzene, 1-((2-methyl-2-phenylpropoxy)methyl)-3-phenoxy-
CID 3067114
Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-
CID 3067118
Benzene, 1-(4-methoxyphenoxy)-3-((2-phenyl-2-methylpropoxy)methyl)-
CID 3067120
Benzene, 1-(4-bromophenoxy)-3-((2-(4-fluorophenyl)-2-methylbutoxy)methyl)-
CID 3067123

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The IUPAC name of 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene (CID 3068482) is 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene.
What is the SMILES notation for 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The canonical SMILES for 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene is CC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The InChIKey is ADZFNJNRKINXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFO2/c1-23(2,18-9-11-19(24)12-10-18)16-26-15-17-8-13-21(25)22(14-17)27-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene?
4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene has a molecular weight of 429.33 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromophenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene is sourced from PubChem (CID 3068482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).